1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine

C17H19FN2O3S — CID 1085531

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19FN2O3S/c1-23-16-8-7-14(18)13-17(16)24(21,22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyRWJQRMPKLNNEKV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.35
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 1085531) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
PubChem CID1085531
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19FN2O3S/c1-23-16-8-7-14(18)13-17(16)24(21,22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyRWJQRMPKLNNEKV-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1294502
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(3-iodo-4-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 2979675
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 27241577

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine (CID 1085531) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine is COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is RWJQRMPKLNNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-23-16-8-7-14(18)13-17(16)24(21,22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 350.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1085531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).